Abstract
Assessment of the intrinsic structural changes inflicted by metal coordination in the molecular geometries of (E)-2-(2-picolinoyhydrazono) propanoic (H2PAP) is of fundamental importance for proper characterization and understanding of the structure–activity relationships. Efforts are being made here to investigate the coordination properties of (H2PAP) as a potential metal-binding entity involving a combined solid state synthetic and computational approach. The metal complexes of (H2PAP) with the divalent cations of manganese, cobalt, nickel, copper, zinc and cadmium also trivalvent chromium and iron in addition to hexavalent uranium are characterized by elemental analyses, TG/DTA, infrared, nuclear magnetic resonance (1H-, 13C-), electronic absorption, as well as magnetic studies. Analysis of the geometrical parameters suggests significant changes in the molecular structure of (H2PAP) coordination with metallic centers. Hg complex is found to have antifungal activity against C. albicans showing 71.4% of the activity clotrimazole. Hg(II) and Cd(II) chelates have highly activity against Gram-negative E.coli with 75% and 62.5% whereas Hg(II) and Cd(II) complexes showed moderate activity against the Gram-positive S. aureus with 54.5 and 27.3%, respectively compared to ampicillin. H2PAP and its metal complexes indicate that Fe(III) and Mn(II) complexes exhibit the potent antioxidative activity for quenching phenazin methosulphate radicals at 99.2% and 84.5% inhibition respectively. It was found that Mn (II), Cu (II), Cd (II), Co (II) and Ni (II) complexes were the most active compound exhibiting a DPPH radical scavenging activity, 77.7, 70.4, 69.3, 67.8 and 67.2% inhibition, respectively.
•Preparation of ligand and its metal complexes.•Characterization of prepared complexes.•DFT studied of ligand and its metal complexes.•Antimicrobial, and Antioxidant studies on ligand and corresponding Complexes.